HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylcitric acid
2-hydroxybutane-1,2,3-tricarboxylic acid · Methylcitric acid · 2-Methylcitric acid · DL-2-METHYLCITRIC ACID · YNOXCRMFGMSKIJ-UHFFFAOYSA-N · 2-Methylcitric Acid (unlabelled) · Tributyl Acetylcitrate Impurity 34 · 1,2,3-Butanetricarboxylic acid, 2-hydroxy-
Identifikatoren & physikalische Daten
| CAS No. | 6061-96-7 |
|---|---|
| Summenformel | C7H10O7 |
| Durchschnittliche Molmasse | 206,15 g/mol |
| Monoisotopische Masse | 206,04265266 g/mol |
| SMILES | CC(C(=O)O)C(O)(CC(=O)O)C(=O)O |
| InChIKey | YNOXCRMFGMSKIJ-UHFFFAOYSA-N |
| PubChem CID | 515 |
| ChEBI | CHEBI:30835 |
| DTXSID | DTXSID30863685 |
Chemische & physikalische Eigenschaften
| XLogP | -1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 132 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 271 |
| Physical Description | Solid |
| Schmelzpunkt | 79 °C |
| Siedepunkt | 313.1±42.0 °C(Predicted) |
| Dichte | 1.637±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.93±0.20(Predicted) |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
Anwendungen & Verwendung
Verwenden
2-Methylcitric Acid is a metabolite of Citric Acid (C521000). It is formed from the condensation of propionoyl-CoA and oxaloacetic acid catalyzed by a citrate synthase enzyme.